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Institutt for kjemi ainara.nova@uit.no

Ainara Nova


Førstamenuensis II, Teoretisk og berengningsbasert kjemi


  • Hongwei Sun, Alexander Ahrens, Gabriel Martins Ferreira Batista, Bjarke S. Donslund, Anne K. Ravn, Emil Vincent Schwibinger m.fl.:
    Solvent-base mismatch enables the deconstruction of epoxy polymers and bisphenol A recovery
    Green Chemistry 2024 ARKIV / DOI
  • Karthik Gadde, Narendraprasad Reddy Bheemireddy, Juliane Heitkämper, Ainara Nova Flores, Bert Maes :
    Directed Palladium-Catalyzed γ-C(sp3)-H Alkenylation of (Aza and Oxa) Cyclohexanamines with Bromoalkenes: Bromide Precipitation as an Alternative to Silver Scavenging
    ACS Catalysis 2024 DOI
  • Hannes Kneiding, Ainara Nova Flores, David Balcells Badia :
    Directional multiobjective optimization of metal complexes at the billion-system scale
    Nature Computational Science 2024 DOI
  • Yunfei Bai, Tomás Cordero-Lanzac, Ainara Nova Flores, Unni Olsbye, Esben Taarning, Juan S. Martinez-Espin :
    Selective linear ethylene oligomerization over nickel-containing zeotypes with tetravalent framework heteroatoms
    Catalysis Science & Technology 2024 DOI
  • Raquel J. Rama, Ainara Nova Flores, M. Carmen Nicasio :
    Microkinetic Model as a Crucial Tool for Understanding Homogeneous Catalysis
    ChemCatChem 2024 DOI
  • Hannes Kneiding, Ainara Nova Flores, David Balcells Badia :
    Directional Multiobjective Optimization of Metal Complexes at the Billion-Scale with the tmQMg-L Dataset and PL-MOGA Algorithm
    ChemRxiv 2023 DOI
  • Dag Kristian Sannes, Sigurd Øien-Ødegaard, Erlend Aunan, Ainara Nova, Unni Olsbye :
    Quantification of Linker Defects in UiO-Type Metal-Organic Frameworks
    Chemistry of Materials 2023 ARKIV / DOI
  • Wanwan Hong, Mahika Luthra, Joakim B. Jakobsen, Monica R. Madsen, Abril C Castro, Hans Christian D. Hammershøj m.fl.:
    Exploring the Parameters Controlling Product Selectivity in Electrochemical CO2 Reduction in Competition with Hydrogen Evolution Employing Manganese Bipyridine Complexes
    ACS Catalysis 2023 ARKIV / DOI
  • Raquel J. Rama, Celia Maya, Francisco Molina, Ainara Nova Flores, M. Carmen Nicasio :
    Important Role of NH-Carbazole in Aryl Amination Reactions Catalyzed by 2-Aminobiphenyl Palladacycles
    ACS Catalysis 2023 ARKIV / DOI
  • Yunfei Bai, Esben Taarning, Mahika Luthra, Lars F. Lundegaard, Anna Katerinopoulou, Hanne Falsig m.fl.:
    Tracking Lattice Distortion Induced by Defects and Framework Tin in Beta Zeotypes
    Journal of Physical Chemistry C 2023 ARKIV / DOI
  • Marte Sofie Martinsen Holmsen, Ainara Nova Flores, Mats Tilset :
    Cyclometalated (N,C) Au(III) Complexes: The Impact of Trans Effects on Their Synthesis, Structure, and Reactivity
    Accounts of Chemical Research 2023 ARKIV / DOI
  • Linn Neerbye Berntsen, Ainara Nova Flores :
    A Mechanistic Study of the Cu-catalyzed N-arylation of Hydantoin with Aryl(TMP)iodonium Salts
    ChemCatChem 2023 ARKIV / DOI
  • Sarah Jenny, Juan M. Serviano, Ainara Nova Flores, Graham E. Dobereiner :
    A Hydride Migration Mechanism for the Mo-Catalyzed Z-2-Selective Isomerization of Terminal Alkenes
    ChemCatChem 2023 FULLTEKST / DOI
  • Sri Harsha Pulumati, Dag Kristian Sannes, Christia R. Jabbour, Laurens D. B. Mandemaker, Bert M. Weckhuysen, Unni Olsbye m.fl.:
    Mechanistic Insights in the Catalytic Hydrogenation of CO2 over Pt Nanoparticles in UiO-67 Metal-Organic Frameworks
    ACS Catalysis 2023 ARKIV / DOI
  • Rosie J. Somerville, Andryj M. Borys, Marina Perez-Jimenez, Ainara Nova, David Balcells Badia, Lorraine A. Malaspina m.fl.:
    Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: revealing the hidden C6H4 ligand†
    Chemical Science 2022 ARKIV / DOI
  • Juan Diego Pizarro, Inga Schmidtke, Ainara Nova, Manuel R. Fructos, Pedro J. Pérez :
    Selective Functionalization of Arene C(sp2)-H Bonds by Gold Catalysis: The Role of Carbene Substituents
    ACS Catalysis 2022 ARKIV / DOI
  • Knut Tormodssønn Hylland, Inga Schmidtke, David Stephen Wragg, Ainara Nova, Mats Tilset :
    Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions
    Dalton Transactions 2022 ARKIV / DOI
  • Ainara Nova Flores, Troels Skrydstrup, Kim Daasbjerg, Annette Bayer, Liselotte Karulf :
    Recommendations for Future CO2 Management in the Nordic Countries
  • Karl Stefan Norén, Mats Tilset, Ainara Nova Flores :
    Synthesis and characterization of molecules for gold (III) catalysis
    2023 FULLTEKST
  • Hannes Kneiding, Ainara Nova Flores, David Balcells Badia :
    Evolutionary Multiobjective Optimization for Transition Metal Complexes
    2023
  • Hannes Kneiding, Ainara Nova Flores, David Balcells Badia :
    Evolutionary Multiobjective Optimization for Transition Metal Complexes
    2023
  • Dag Kristian Sannes, Sigurd Øien-Ødegaard, Erlend Aunan, Ainara Nova Flores, Unni Olsbye :
    Quantification of linker defects in UiO-type metal-organic frameworks
    2023
  • Ainara Nova Flores :
    Modelling reaction mechanisms of multicomponent catalytic systems
    2023
  • Ainara Nova Flores :
    Recycling CO2 will help minimising climate effects
    NordForsk Rapporter 2023
  • Ainara Nova Flores :
    Modelling (De-)Hydrogenation Reactions using Bifunctional Catalysts
    2023
  • Inga Schmidtke, Christina Erken, Timo Repo, Ainara Nova Flores :
    Mechanistic DFT studies of the formation of a novel Rh(I)-ethylene complex
    2023
  • Inga Schmidtke, Christina Erken, Timo Repo, Ainara Nova Flores :
    Mechanistic DFT studies on the formation of a novel Rh(I)-ethylene complex
    2023
  • Linn Neerbye Berntsen, Ainara Nova Flores :
    Development of New Synthetic Methods for the Preparation of N-functionalized Hydantoins
    2023 FULLTEKST
  • Dag Kristian Sannes, Sigurd Øien-Ødegaard, Erlend Aunan, Ainara Nova, Unni Olsbye :
    Reliable determination of linker defects in UiO-type metal-organic frameworks
    2022
  • Dag Kristian Sannes, Sigurd Øien-Ødegaard, Erlend Aunan, Ainara Nova, Unni Olsbye :
    Reliable determination of linker defects in UiO-type metal-organic frameworks
    2022
  • Ainara Nova :
    The multiple roles of amines in CO2 conversion reactions
    2022
  • Ainara Nova :
    The role of amines in the electrochemical reduction of CO2
    2022
  • Ainara Nova :
    CO2 Hydrogenation to Methanol via Cooperative Mechanisms
    2022
  • Mahika Luthra, Ainara Nova, David Balcells, Abril C Castro :
    Mechanistic Insight into Electrocatalytic CO2 Reduction with Mn Bipyride complexes using Ab-Initio MD and Static DFT
    2022
  • Tamal Das, Ainara Nova :
    The Multiple Configurations of μ3-OH Functionalized UiO-MOFs and its Potential Relevance in carbon capture and conversion
    2022
  • Tamal Das, Ainara Nova :
    Insights Into Multi Configuration Single Metal-Site MOF Based Catalysts: Structure, Stability and Dynamics Study
    2022
  • Tamal Das, Ainara Nova :
    The Multiple Configurations of μ3-OH Functionalized UiO-MOFs and its Potential Relevance in Catalysis
    2022
  • Ning Cao, Ainara Nova, Unni Olsbye, David Balcells :
    Structural characterization of Cu-UiO MOFs by DFT methods
    2022
  • Tamal Das, Ainara Nova :
    Insight Into the Multiple Configurations of MOF based Single-Site Catalysts: Structure, Stability and Dynamics
    2022
  • Inga Schmidtke, Juan Diego Pizarro, Manuel R. Fructos, Pedro J. Pérez, Ainara Nova :
    Selective functionalization of arene C(sp2)-H bonds by gold catalysis
    2022
  • Inga Schmidtke, Juan Diego Pizarro, Manuel R. Fructos, Pedro J. Pérez, Ainara Nova :
    Selective functionalization of arene C(sp2)-H bonds by gold catalysis
    2022
  • Inga Schmidtke, Juan Diego Pizarro, Manuel R. Fructos, Pedro J. Pérez, Ainara Nova :
    Computational study on the role of carbene substituents in a Au(I)-catalyzed C-H-functionalization reaction
    2022
  • Mohamed E. A. Safy, David Balcells, Ainara Nova :
    Hydrogenation of CO2 to methanol: What is beyond Ru-MACHO?
    2022
  • Mohamed E. A. Safy, David Balcells, Ainara Nova :
    COMBINING DFT AND MACHINE LEARNING TOWARDS DISCOVERING OF NEW CATALYSTS FOR CO2 REDUCTION TO METHANOL
    2022
  • Mohamed Eid Ahmed Safy, Ainara Nova, David Balcells :
    COMBINING DFT AND MACHINE LEARNING TOWARDS DISCOVERING OF SUPERIOR CATALYSTS FOR CO2 REDUCTION TO METHANOL
    2022
  • Raquel Jimenez Rama, Celia Maya, Ainara Nova, M. Carmen Nicasio :
    Mechanistic study of Pd-catalyzed C-N couplings supported by terphenyl phosphane ligands
    2022
  • Raquel Jimenez Rama, Celia Maya, Ainara Nova, M. Carmen Nicasio :
    Mechanistic study of palladium-catalyzed C-N couplings supported by terphenyl phosphane ligands
    2022
  • Raquel Jimenez Rama, Ainara Nova :
    Synthesis and characterization of linker-based ligands for the CO2 hydrogenation to methanol
    2022
  • Ainara Nova :
    Modelling complex reaction mechanisms of catalytic processes using DFT methods
    2021
  • Unni Olsbye, Emil Sebastian Gutterød, Andrea Lazzarini, Torstein Fjermestad, S.H. Pulumati, Ainara Nova m.fl.:
    Mechanistic studies of CO2 hydrogenation to methanol, methane and CO over Pt-containing Zr-MOFs
    2021

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